3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;3-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate

C203H406O28 — CID 158033419

About 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;3-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate

3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;3-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate (PubChem CID 158033419) has the molecular formula C203H406O28 and a molecular weight of 3295.45 g/mol. Its IUPAC name is 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;3-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;3-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate
• PubChem CID: 158033419
• Molecular Formula: C203H406O28
• Molecular Weight: 3295.45 g/mol
• Exact Mass: 3293.03
• IUPAC Name: 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;3-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC(C)(CC)C(C)(C)C.CCC(C)(C)C(=O)OC(C)(CC)C(C)C.CCC(C)(C)C(=O)OC(CC)(C(C)C)C(C)(C)C.CCC(C)(C)C(=O)OC(CC)(C(C)C)C(C)C.CCC(C)(C)C(=O)OC(CC)(CC)C(C)(C)C.CCC(C)(C)C(=O)OC(CC)(CC)C(C)C.CCC(C)C(C)(CC)OC(=O)C(C)(C)CC.CCC(C)C(CC)(CC)OC(=O)C(C)(C)CC.CCC(C)C(CC)(OC(=O)C(C)(C)CC)C(C)C.CCCC(C)(CC)OC(=O)C(C)(C)CC.CCCC(CC)(CC)OC(=O)C(C)(C)CC.CCCC(CC)(OC(=O)C(C)(C)CC)C(C)C.CCCCC(C)(CC)OC(=O)C(C)(C)CC.CCCCC(CC)(CC)OC(=O)C(C)(C)CC
• InChI: InChI=1S/2C16H32O2.5C15H30O2.5C14H28O2.2C13H26O2/c1-10-15(8,9)13(17)18-16(11-2,12(3)4)14(5,6)7;1-9-13(6)16(11-3,12(4)5)18-14(17)15(7,8)10-2;1-9-14(7,8)12(16)17-15(10-2,11-3)13(4,5)6;1-9-14(7,8)13(16)17-15(10-2,11(3)4)12(5)6;1-8-11-15(10-3,12(4)5)17-13(16)14(6,7)9-2;1-8-12(5)15(10-3,11-4)17-13(16)14(6,7)9-2;1-7-11-12-15(9-3,10-4)17-13(16)14(5,6)8-2;1-9-13(6,7)11(15)16-14(8,10-2)12(3,4)5;1-8-11(4)14(7,10-3)16-12(15)13(5,6)9-2;1-8-13(6,7)12(15)16-14(9-2,10-3)11(4)5;1-7-10-11-14(6,9-3)16-12(15)13(4,5)8-2;1-7-11-14(9-3,10-4)16-12(15)13(5,6)8-2;1-8-12(5,6)11(14)15-13(7,9-2)10(3)4;1-7-10-13(6,9-3)15-11(14)12(4,5)8-2/h12H,10-11H2,1-9H3;12-13H,9-11H2,1-8H3;9-11H2,1-8H3;11-12H,9-10H2,1-8H3;2*12H,8-11H2,1-7H3;7-12H2,1-6H3;9-10H2,1-8H3;2*11H,8-10H2,1-7H3;2*7-11H2,1-6H3;10H,8-9H2,1-7H3;7-10H2,1-6H3
• InChIKey: FHLMNFVONXCDPZ-UHFFFAOYSA-N
• XLogP: 61.40
• TPSA: 368.20 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 86
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3295.45
LogP ≤ 5	61.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;3-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate?

The IUPAC name of 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;3-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate (CID 158033419) is 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;3-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate.

What is the SMILES notation for 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;3-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate?

The canonical SMILES for 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;3-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(CC)C(C)(C)C.CCC(C)(C)C(=O)OC(C)(CC)C(C)C.CCC(C)(C)C(=O)OC(CC)(C(C)C)C(C)(C)C.CCC(C)(C)C(=O)OC(CC)(C(C)C)C(C)C.CCC(C)(C)C(=O)OC(CC)(CC)C(C)(C)C.CCC(C)(C)C(=O)OC(CC)(CC)C(C)C.CCC(C)C(C)(CC)OC(=O)C(C)(C)CC.CCC(C)C(CC)(CC)OC(=O)C(C)(C)CC.CCC(C)C(CC)(OC(=O)C(C)(C)CC)C(C)C.CCCC(C)(CC)OC(=O)C(C)(C)CC.CCCC(CC)(CC)OC(=O)C(C)(C)CC.CCCC(CC)(OC(=O)C(C)(C)CC)C(C)C.CCCCC(C)(CC)OC(=O)C(C)(C)CC.CCCCC(CC)(CC)OC(=O)C(C)(C)CC.

What is the InChIKey of 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;3-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate?

The InChIKey is FHLMNFVONXCDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H32O2.5C15H30O2.5C14H28O2.2C13H26O2/c1-10-15(8,9)13(17)18-16(11-2,12(3)4)14(5,6)7;1-9-13(6)16(11-3,12(4)5)18-14(17)15(7,8)10-2;1-9-14(7,8)12(16)17-15(10-2,11-3)13(4,5)6;1-9-14(7,8)13(16)17-15(10-2,11(3)4)12(5)6;1-8-11-15(10-3,12(4)5)17-13(16)14(6,7)9-2;1-8-12(5)15(10-3,11-4)17-13(16)14(6,7)9-2;1-7-11-12-15(9-3,10-4)17-13(16)14(5,6)8-2;1-9-13(6,7)11(15)16-14(8,10-2)12(3,4)5;1-8-11(4)14(7,10-3)16-12(15)13(5,6)9-2;1-8-13(6,7)12(15)16-14(9-2,10-3)11(4)5;1-7-10-11-14(6,9-3)16-12(15)13(4,5)8-2;1-7-11-14(9-3,10-4)16-12(15)13(5,6)8-2;1-8-12(5,6)11(14)15-13(7,9-2)10(3)4;1-7-10-13(6,9-3)15-11(14)12(4,5)8-2/h12H,10-11H2,1-9H3;12-13H,9-11H2,1-8H3;9-11H2,1-8H3;11-12H,9-10H2,1-8H3;2*12H,8-11H2,1-7H3;7-12H2,1-6H3;9-10H2,1-8H3;2*11H,8-10H2,1-7H3;2*7-11H2,1-6H3;10H,8-9H2,1-7H3;7-10H2,1-6H3.

What are the key properties of 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;3-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate?

3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;3-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate has a molecular weight of 3295.45 g/mol, XLogP of 61.40, 86 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dimethylhexan-3-yl 2,2-dimethylbutanoate;2,3-dimethylpentan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2-dimethylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,4-dimethylpentan-3-yl) 2,2-dimethylbutanoate;3-ethylheptan-3-yl 2,2-dimethylbutanoate;3-ethylhexan-3-yl 2,2-dimethylbutanoate;(3-ethyl-2-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-4-methylhexan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(3-ethyl-2,2,4-trimethylpentan-3-yl) 2,2-dimethylbutanoate;3-methylheptan-3-yl 2,2-dimethylbutanoate;3-methylhexan-3-yl 2,2-dimethylbutanoate;2,2,3-trimethylpentan-3-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 158033419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).